1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H24ClNO — CID 142714451

IUPAC1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO/c1-17(2,3)16(20)19-10-8-14(9-11-19)12-13-4-6-15(18)7-5-13/h4-7,14H,8-12H2,1-3H3
InChIKeyKJSWZOVSRCXVBX-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.17
Rot. Bonds2

About 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 142714451) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID142714451
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClNO/c1-17(2,3)16(20)19-10-8-14(9-11-19)12-13-4-6-15(18)7-5-13/h4-7,14H,8-12H2,1-3H3
InChIKeyKJSWZOVSRCXVBX-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879762
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110102478
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide
CID 10152547
1-[4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 55588699
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
2-amino-1-(4-benzylpiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 60866270
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 55969919
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119671917
2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one
CID 110102094

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 142714451) is 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KJSWZOVSRCXVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-17(2,3)16(20)19-10-8-14(9-11-19)12-13-4-6-15(18)7-5-13/h4-7,14H,8-12H2,1-3H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 293.84 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 142714451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).